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CAS No.: | 63155-43-1 |
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Name: | 2-(4,6-Dichloropyrimidin-2-yl)acetonitrile |
Molecular Structure: | |
Formula: | C6H3Cl2N3 |
Molecular Weight: | 188.01412 |
Synonyms: | 2-(4,6-dichloropyrimidin-2-yl)acetonitrile |
EINECS: | 200-258-5 |
Density: | 1.492 g/cm3 |
Boiling Point: | 305.9 °C at 760 mmHg |
Flash Point: | 138.8 °C |
PSA: | 49.57000 |
LogP: | 1.84948 |
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This chemical is called 2-(4,6-Dichloropyrimidin-2-yl)acetonitrile, and its systematic name is (4,6-dichloropyrimidin-2-yl)acetonitrile. With the molecular formula of C6H3Cl2N3, its molecular weight is 188.01412. The CAS registry number of this chemical is 63155-43-1.
Other characteristics of the 2-(4,6-Dichloropyrimidin-2-yl)acetonitrile can be summarised as followings: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 49.57 Å2; (7)Index of Refraction: 1.575; (8)Molar Refractivity: 41.68 cm3; (9)Molar Volume: 125.9 cm3; (10)Polarizability: 16.52×10-24cm3; (11)Surface Tension: 61 dyne/cm; (12)Density: 1.492 g/cm3; (13)Flash Point: 138.8 °C; (14)Enthalpy of Vaporization: 54.64 kJ/mol; (15)Boiling Point: 305.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000796 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: N#CCc1nc(Cl)cc(Cl)n1
2.InChI: InChI=1/C6H3Cl2N3/c7-4-3-5(8)11-6(10-4)1-2-9/h3H,1H2
3.InChIKey: VUULABSLYIJIKR-UHFFFAOYAN